Chem
J-GLOBAL ID：201107004707045527
Nikkaji number：J2.982.533E
(3R,4R)-9-Oxo-2,2-dimethyl-3,4-dihydro-2H,9H-benzo[2,1-b:3,4-b′]dipyran-3,4-diol 4-[(R)-α-methoxy-α-(trifluoromethyl)phenylacetate]
(3R,4R)-3-ヒドロキシ-2,2-ジメチル-9-オキソ-2H,3H,4H,9H-ピラノ[3,2-h]クロメン-4-イル (2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C24H21F3O7
Molecular formula furigana： C24-H21-F3-O7
Molecular weight： 478.420
InChI：
InChI=1S/C24H21F3O7/c1-22(2)20(29)19(15-11-9-13-10-12-16(28)32-17(13)18(15)34-22)33-21(30)23(31-3,24(25,26)27)14-7-5-4-6-8-14/h4-12,19-20,29H,1-3H3/t19-,20-,23-/m1/s1
InChI key：
VXXSJEFTBMFRKH-TXTKFYIRSA-N
SMILES：
CO[C@@](C(=O)O[C@H]1[C@@H](O)C(C)(C)Oc2c1ccc1ccc(=O)oc21)(c1ccccc1)C(F)(F)F
Systematic name (3)：
- (3R,4R)-9-オキソ-2,2-ジメチル-3,4-ジヒドロ-2H,9H-ベンゾ[2,1-b:3,4-b′]ジピラン-3,4-ジオール4-[(R)-α-メトキシ-α-(トリフルオロメチル)フェニルアセタート]
- (3R,4R)-3-ヒドロキシ-2,2-ジメチル-9-オキソ-2H,3H,4H,9H-ピラノ[3,2-h]クロメン-4-イル (2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
- (3R,4R)-3-hydroxy-2,2-dimethyl-9-oxo-2H,3H,4H,9H-pyrano[3,2-h]chromen-4-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
- (3R,4R)-9-Oxo-2,2-dimethyl-3,4-dihydro-2H,9H-benzo[2,1-b:3,4-b′]dipyran-3,4-diol 4-[(R)-α-methoxy-α-(trifluoromethyl)phenylacetate]
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